2,4'-Dihydroxydiphenyl sulfone

HCID 79381

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Basic information

CAS: 5397-34-2
Standard SMILES: O=S(=O)(c1ccc(O)cc1)c1ccccc1O
InChIKey: LROZSPADHSXFJA-UHFFFAOYSA-N
Molecular formula: C12H10O4S
Average molar mass: 250.27 g/mol
Monoisotopic mass: 250.0299798

Names & identifiers

Preferred name: 2,4'-Dihydroxydiphenyl sulfone
IUPAC: 2-(4-hydroxyphenyl)sulfonylphenol
English name: 2,4'-DIHYDROXYDIPHENYL SULFONE
Molecular formula: C12H10O4S
Molecular weight: 250.27

Names & synonyms

5397-34-22,4'-Dihydroxydiphenyl sulfone2-((4-Hydroxyphenyl)sulfonyl)phenol2,4'-SulfonyldiphenolPhenol, 2,4'-sulfonyldi-O,P-Dihydroxydiphenyl sulfone4,2'-Dihydroxydiphenyl sulfone24 BISPHENOL SPhenol, 2-[(4-hydroxyphenyl)sulfonyl]-Phenol, 2-((4-hydroxyphenyl)sulfonyl)-NSC 2432EINECS 226-421-1

Show more names

2,4-BPSBPS-24C2,4'2,4'-DIHYDROXYDIPHEN2,4’-sulfonyldi-pheno2,4’-sulfonyldiphenol2,4'-SulfonylbisphenolDihydroxydiphenylsulfone2,4'-Sulfonylbis(phenol)

AI3-086682-(4-Hydroxyphenylsulfonyl)phenol65974MNO5XNSC-2432o-((4-Hydroxyphenyl)sulphonyl)phenolDTXSID90521832,4'-BISPHENOL SULFONE2-[(4-hydroxyphenyl)sulfonyl]phenol

Database identifiers

CAS: 5397-34-2
PubChem CID: 79381
DTXSID: DTXSID9052183
UNII: 65974MNO5X
EC Number: 226-421-1
Nikkaji: J217.951B

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 83 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 338

Experimental & physicochemical properties

Chemical ClassesBisphenol

Endocrine DisruptorsPotential endocrine disrupting compound

Physical DescriptionDry Powder

Physicochemical properties

Melting point: 184 °C · 184°C
Boiling point: 487.2 · 487.2±30.0 °C(Predicted)
Density: 1.432 · 1.432±0.06 g/cm3(Predicted)
storage temp.: Refrigerator
solubility: DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly)
pka: 7.09 · 7.09±0.15(Predicted)
form: Solid
color: White to Off-White
InChIKey: LROZSPADHSXFJA-UHFFFAOYSA-N
CAS DataBase Reference: 5397 · 5397-34-2(CAS DataBase Reference)
FDA UNII: 65974 MNO5X · 65974MNO5X
EPA Substance Registry System: 2 · Phenol, 2-[(4-hydroxyphenyl)sulfonyl]- (5397-34-2)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
RTECS: 5365000 · SL5365000
TSCA: TSCA listed
HS Code: 2930.9 · 2930.90.2900

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 26.4% (38 of 144) of reports.

Danger

H302 (72.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 144 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 1 item

Phenol, 2-[(4-hydroxyphenyl)sulfonyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2-[(4-hydroxyphenyl)sulfonyl]- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Hazard Classes and CategoriesAcute Tox. 4 (72.9%)

Safety data

tsca: TSCA listed
rtecs: SL5365000
hs_code: 2930.90.2900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313